CID 45084997

25303-66-6

Structural Information

Molecular Formula

C₇H₁₀O

SMILES

CC(=O)C1CC(=C)C1

InChI

InChI=1S/C7H10O/c1-5-3-7(4-5)6(2)8/h7H,1,3-4H2,2H3

InChIKey

HZQIYEIIXARJKB-UHFFFAOYSA-N

Compound name

1-(3-methylidenecyclobutyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 110.073166 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	111.08044	119.4
[M+Na]+	133.06238	125.9
[M-H]-	109.06589	123.3
[M+NH4]+	128.10699	136.0
[M+K]+	149.03632	128.1
[M+H-H2O]+	93.070426	110.3
[M+HCOO]-	155.07137	140.9
[M+CH3COO]-	169.08702	174.0
[M+Na-2H]-	131.04783	124.1
[M]+	110.07262	126.7
[M]-	110.07371	126.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe